0 B8R0.7 CCCCCCC(=O)O 30743 [0,0,1,0,0,0|1,0,1]=3 1 B8R0.7 NCCCCCC(=O)O 02556 [0,0,1,0,0,0|1,0,1]=3 2 B8R0.7 O=C(Cl)CCCCCBr 26761 [0,0,1,0,0,0|2,0,1]=4 3 B8R0.7 O=C(O)CCCCCBr 24477 [0,0,1,0,0,0|1,0,1]=3 4 B8R0.7 O=C(O)CCCCCS 29135 [0,0,1,0,0,0|0,1,1]=3 5 B8R0.19 COC(=O)CC(=O)OC 31543 [0,0,1,0,0,0|3,0,0]=4 6 B10R2.71 [C@H]12CC[C@H](CC(=O)C1)N2 14396 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.4 CC1=CC(=O)CCC1 26783 [0,0,0,0,1,0|2,0,0]=3 8 B8R1.4 O=C1CCCC(=O)C1 24452 [0,0,0,0,1,0|1,0,0]=2 9 B8R1.4 O=C1COCC(=O)N1 23453 [0,0,0,0,1,0|2,0,0]=3 10 B8R1.5 CN1CCNCC1=O 17612 [0,0,0,0,1,0|3,0,0]=4 11 B8R1.5 CN1CCNCC1=O 19845 [0,0,0,0,1,0|3,0,0]=4 12 B8R1.5 O=C1CCCCC1=O 02296 [0,0,0,0,1,0|0,0,0]=1 13 B7R0.1 CCCCCCC=O 30760 [1,0,1,0,0,0|1,0,1]=4 14 B7R0.1 O=CCCCCCCl 26394 [1,0,1,0,0,0|1,0,1]=4 15 B7R0.3 COC(=O)CCCBr 27605 [1,0,1,0,0,0|1,0,1]=4 16 B7R0.3 COC(=O)CCCN 31340 [1,0,1,0,0,0|1,0,1]=4 17 B7R0.7 CCOC(=O)CCBr 26742 [1,0,1,0,0,0|1,0,1]=4 18 B7R0.7 CCOC(=O)CCN 06221 [1,0,1,0,0,0|1,0,1]=4 19 B7R0.7 CCOC(=O)CNC 12102 [1,0,1,0,0,0|1,0,1]=4 20 B7R0.2 CCC(=O)\C=C(/C)O 24068 [1,0,1,0,0,0|1,0,1]=4 21 B7R0.4 CNCCCC(=O)O 06613 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.4 NCCCCC(=O)O 06917 [1,0,1,0,0,0|1,0,0]=3 23 B7R0.4 NCCCCC(=O)O 21636 [1,0,1,0,0,0|1,0,0]=3 24 B7R0.4 NCCNCC(=O)O 09646 [1,0,1,0,0,0|2,0,0]=4 25 B7R0.4 O=C(Cl)CCCCBr 27364 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.4 O=C(O)CCCCBr 22022 [1,0,1,0,0,0|1,0,0]=3 27 B7R0.4 O=C(O)CCCCCl 26912 [1,0,1,0,0,0|1,0,0]=3 28 B9R0.5 CCOC(=O)CCCCBr 00403 [0,1,1,0,0,0|1,0,1]=4 29 B9R0.35 CCC[C@H](N)C(=O)OCC 16306 [0,1,1,0,0,0|1,0,1]=4 30 B9R0.48 CCOC(=O)CCC(C)C 22392 [0,1,1,0,0,0|1,0,1]=4 31 B9R0.6 CCOC(=O)C(C)C(C)=O 21577 [0,1,1,0,0,0|2,0,0]=4 32 B9R0.2 CCCCCCCC(=O)O 30738 [0,1,1,0,0,0|1,0,1]=4 33 B9R0.2 NCCCCCCC(=O)O 05412 [0,1,1,0,0,0|1,0,1]=4 34 B9R0.2 NCCCCCCC(=O)O 29725 [0,1,1,0,0,0|1,0,1]=4 35 B9R0.2 [N-]=[N+]=NCCCCC(=O)O 29347 [0,1,1,0,0,0|2,0,0]=4 36 B9R0.46 CCCCCCC(=O)OC 30763 [0,1,1,0,0,0|1,0,1]=4 37 B9R0.46 COC(=O)CCCCCBr 28157 [0,1,1,0,0,0|1,0,1]=4 38 B9R0.47 NCCCCC(N)C(=O)O 01315 [0,1,1,0,0,0|1,0,1]=4 39 B9R0.47 NCCCC[C@@H](N)C(=O)O 00204 [0,1,1,0,0,0|1,0,1]=4 40 B9R0.47 NCCCC[C@@H](N)C(=O)O 21332 [0,1,1,0,0,0|1,0,1]=4 41 B9R0.47 NCCCC[C@H](N)C(=O)O 00203 [0,1,1,0,0,0|1,0,1]=4 42 B9R0.47 NCCCC[C@H](N)C(=O)O 01742 [0,1,1,0,0,0|1,0,1]=4 43 B9R0.47 NCCCC[C@H](N)C(=O)O 07263 [0,1,1,0,0,0|1,0,1]=4 44 B9R0.47 NCCCC[C@H](N)C(=O)O 31938 [0,1,1,0,0,0|1,0,1]=4 45 B9R0.55 CC(=O)NCCCC(=O)O 11793 [0,1,1,0,0,0|1,0,0]=3 46 B9R0.55 O=C(O)CCCCC(=O)O 30373 [0,1,1,0,0,0|0,0,0]=2 47 B9R1.6 O=C(O)C1CC=CCC1 22460 [0,0,1,1,0,0|1,0,1]=4 48 B9R1.6 O=C(O)C1CCCCC1 21907 [0,0,1,1,0,0|1,0,1]=4 49 B9R1.6 O=C(O)C1CCCCN1 07064 [0,0,1,1,0,0|1,0,1]=4 50 B9R1.6 O=C(O)C1CCCNC1 06902 [0,0,1,1,0,0|2,0,0]=4 51 B9R1.6 O=C(O)C1CCCOC1 20871 [0,0,1,1,0,0|2,0,0]=4 52 B9R1.6 O=C(O)[C@@H]1CCCCN1 03414 [0,0,1,1,0,0|1,0,1]=4 53 B9R1.6 O=C(O)[C@@H]1CCCNC1 28509 [0,0,1,1,0,0|2,0,0]=4 54 B9R1.6 O=C(O)[C@H]1CCCCN1 05974 [0,0,1,1,0,0|1,0,1]=4 55 B9R1.6 O=C(O)[C@H]1CCCNC1 28510 [0,0,1,1,0,0|2,0,0]=4 56 B9R1.37 CC1=C(C)C(=O)OC1=O 16567 [0,0,1,1,0,0|0,0,2]=4 57 B7R0.5 CCCC(=O)C(=O)[O-] 20956 [0,0,1,0,1,0|1,0,0]=3 58 B7R0.5 CCOC(=O)C(C)=O 21912 [0,0,1,0,1,0|1,0,0]=3 59 B7R1.3 O=C1C=CCCC1 31546 [1,0,0,0,1,0|0,0,1]=3 60 B7R1.3 O=C1CCCNC1 14263 [1,0,0,0,1,0|1,0,1]=4 61 B7R1.3 O=C1CCCOC1 19383 [1,0,0,0,1,0|1,0,1]=4 62 B7R1.3 O=C1CCOCC1 16995 [1,0,0,0,1,0|1,0,1]=4 63 B7R1.2 O=C1C=CC(=O)O1 02328 [0,0,0,0,2,0|0,0,2]=4 64 B7R1.2 O=C1CCC(=O)N1 24498 [0,0,0,0,2,0|1,0,0]=3 65 B7R1.2 O=C1CCC(=O)O1 02106 [0,0,0,0,2,0|0,0,0]=2 66 B7R1.2 O=C1CNC(=O)N1 31508 [0,0,0,0,2,0|2,0,0]=4 67 B7R1.2 O=C1CSC(=O)N1 26950 [0,0,0,0,2,0|2,0,0]=4 68 B7R1.4 CN1CCCC1=O 00741 [0,0,0,0,2,0|2,0,0]=4 69 B7R1.4 CN1CCCC1=O 30063 [0,0,0,0,2,0|2,0,0]=4